1.0 2010-04-08 22:10:53 UTC 2019-11-26 03:08:58 UTC FDB013739 Diosbulbin A Constituent of Dioscorea bulbifera (air potato). Diosbulbin A is found in root vegetables. Diosbulbin A C20H24O7 376.4004 376.152203122 methyl 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadecane-10-carboxylate methyl 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadecane-10-carboxylate 20086-05-9 COC(=O)C1CC(O)CC2C1C1CC3(OC(CC23C)C2=COC=C2)C(=O)O1 InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3 OPNWTAMLIMDKEY-UHFFFAOYSA-N belongs to the class of organic compounds known as naphthofurans. Naphthofurans are compounds containing a furan ring fused to a naphthalene moiety. Furan is a 5 membered- ring aromatic ring with four carbon and one oxygen atoms. Naphthalene is a polycyclic aromatic hydrocarbon made up of two fused benzene rings. Naphthofurans Organic compounds Organoheterocyclic compounds Naphthofurans Aromatic heteropolycyclic compounds Carbonyl compounds Cyclic alcohols and derivatives Dialkyl ethers Dicarboxylic acids and derivatives Furans Gamma butyrolactones Heteroaromatic compounds Hydrocarbon derivatives Methyl esters Organic oxides Oxacyclic compounds Oxepanes Secondary alcohols Tetrahydrofurans Alcohol Aromatic heteropolycyclic compound Caprolactone Carbonyl group Carboxylic acid derivative Carboxylic acid ester Cyclic alcohol Dialkyl ether Dicarboxylic acid or derivatives Ether Furan Gamma butyrolactone Heteroaromatic compound Hydrocarbon derivative Lactone Methyl ester Naphthofuran Organic oxide Organic oxygen compound Organooxygen compound Oxacycle Oxepane Secondary alcohol Tetrahydrofuran logp 1.20 ALOGPS logs -3.08 ALOGPS solubility 3.14e-01 g/l ALOGPS melting_point Mp 265° dec. logp 1.09 ChemAxon pka_strongest_acidic 15.22 ChemAxon pka_strongest_basic -2.7 ChemAxon iupac methyl 3-(furan-3-yl)-8-hydroxy-5-methyl-14-oxo-2,13-dioxatetracyclo[10.2.1.0¹,⁵.0⁶,¹¹]pentadecane-10-carboxylate ChemAxon average_mass 376.4004 ChemAxon mono_mass 376.152203122 ChemAxon smiles COC(=O)C1CC(O)CC2C1C1CC3(OC(CC23C)C2=COC=C2)C(=O)O1 ChemAxon formula C20H24O7 ChemAxon inchi InChI=1S/C20H24O7/c1-19-7-14(10-3-4-25-9-10)27-20(19)8-15(26-18(20)23)16-12(17(22)24-2)5-11(21)6-13(16)19/h3-4,9,11-16,21H,5-8H2,1-2H3 ChemAxon inchikey OPNWTAMLIMDKEY-UHFFFAOYSA-N ChemAxon polar_surface_area 95.2 ChemAxon refractivity 91.32 ChemAxon polarizability 38.53 ChemAxon rotatable_bond_count 3 ChemAxon acceptor_count 4 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 11241 Specdb::CMs 44193 Specdb::CMs 136822 Specdb::CMs 144556 Specdb::MsMs 48525 Specdb::MsMs 48526 Specdb::MsMs 48527 Specdb::MsMs 153093 Specdb::MsMs 153094 Specdb::MsMs 153095 Specdb::MsMs 2357163 Specdb::MsMs 2357164 Specdb::MsMs 2357165 Specdb::MsMs 2608476 Specdb::MsMs 2608477 Specdb::MsMs 2608478 HMDB35108 #<Reference:0x000055ce31d98cf8> Root vegetables Unknown generic